3AJ9
X-ray analysis of Crystal of Proteinase K Obtained from D2O Solution Using PEG 8000
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-02-20 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97802 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 68.100, 68.100, 102.464 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.976 - 1.100 |
| R-factor | 0.1479 |
| Rwork | 0.147 |
| R-free | 0.16150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ic6 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.301 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | PHENIX ((phenix.refine: 1.5_2)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.160 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rmerge | 0.087 | 0.330 |
| Number of reflections | 97788 | |
| <I/σ(I)> | 23.6 | 7.2 |
| Completeness [%] | 99.7 | 98.1 |
| Redundancy | 14 | 9.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.7 | 293 | 4.5% PEG 8000, 0.05M calcium acetate, 0.05M cacodylate, pH 6.7, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
